Monomers

Triallyl citrate

Identifiers

IUPAC name
tris(prop-2-enyl) 2-hydroxypropane-1,2,3-tricarboxylate
InchI
InChI=1S/C15H20O7/c1-4-7-20-12(16)10-15(19,14(18)22-9-6-3)11-13(17)21-8-5-2/h4-6,19H,1-3,7-11H2
InchI Key
PLCFYBDYBCOLSP-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C(CC(=O)OCC=C)(CC(=O)OCC=C)O
Canonical SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Isomeric SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C15H20O7
Heavy Atom Count
22
Molecular Weight
312.318
Exact Molecular Weight
312.1209
Valence Electrons
122
Radical Electrons
0
tPSA
99.13
MolLogP
0.6853
H Bond Acceptors
7
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 42 41  0  0  0  0  0  0  0  0999 V2000
    2.7484    4.2925    1.1834 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2630    3.8283    0.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8261    3.9853   -0.2936 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1321    2.7982   -0.4922 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0510    1.7821    0.4105 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4567    1.9175    1.5521 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8277    0.5309    0.0852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0321   -0.6789    0.4318 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2566   -0.7910   -0.2832 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7022    0.0186   -1.1124 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161   -1.9231    0.0256 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2548   -2.2246   -0.5305 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2910   -1.2150   -0.2867 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4020   -1.5364    0.3643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0344    0.5557    1.0358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9178   -0.6138    0.8504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5661   -1.7025    1.3638 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1092   -0.5905    0.1474 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9223   -1.7612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2069   -2.8413   -0.6865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6644   -3.3324   -1.8219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2983    0.5536   -1.2038 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7849    4.1891    1.4478 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0945    4.7937    1.8788 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9573    3.3301   -0.6270 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7712    4.5815   -1.2497 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3696    4.6558    0.4693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6345   -1.5695    0.0807 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0855   -0.7189    1.5402 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1867   -2.4451   -1.6359 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5824   -3.1912   -0.0868 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2087   -0.1767   -0.6166 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5797   -2.5540    0.7361 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1956   -0.8291    0.5703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6528    0.6350    2.0654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5472    1.5286    0.8146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2335   -2.0597    1.0384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8435   -1.4349   -0.5111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3066   -3.2330   -0.2630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5739   -2.9284   -2.2392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1441   -4.1156   -2.3189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5986    0.4901   -1.8790 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  3
  7 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  3
  7 22  1  0
  1 23  1  0
  1 24  1  0
  2 25  1  0
  3 26  1  0
  3 27  1  0
  8 28  1  0
  8 29  1  0
 12 30  1  0
 12 31  1  0
 13 32  1  0
 14 33  1  0
 14 34  1  0
 15 35  1  0
 15 36  1  0
 19 37  1  0
 19 38  1  0
 20 39  1  0
 21 40  1  0
 21 41  1  0
 22 42  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers